Stereochemical effects in electron impact mass spectra of  cis‐trans  isomeric 1,2,4,5‐tetramethylcyclohexanes | Zendy

Herzschuh R. | Zendy; Mann G. | Zendy; Werner H. | Zendy; Mende Elke | Zendy

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Stereochemical effects in electron impact mass spectra of cis‐trans isomeric 1,2,4,5‐tetramethylcyclohexanes

Author(s) -

Herzschuh R.,

Mann G.,

Werner H.,

Mende Elke

Publication year - 1981

Publication title -

organic mass spectrometry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.475

H-Index - 121

eISSN - 1096-9888

pISSN - 0030-493X

DOI - 10.1002/oms.1210160808

Subject(s) - chemistry , electron ionization , enthalpy , fragmentation (computing) , ion , mass spectrum , cis–trans isomerism , mass spectrometry , stereochemistry , spectral line , analytical chemistry (journal) , medicinal chemistry , ionization , physics , organic chemistry , chromatography , quantum mechanics , astronomy , computer science , operating system

The mass spectrometric fragmentation of the five cis‐trans isomeric 1,2,4,5‐tetramethylcyclohexanes is influenced by their configuration. The thermochemically stable isomers show a higher abundance of the [MCH 3 ] + ions and a lower abundance of the [MC 2 H 5 ] + ions than the strained isomers. The [MCH 3 ] + /[MC 2 H 5 ] + intensity ratio correlates with the enthalpy difference Δ H isom and with the mean number of gauche arrangements Z g I of the stereoisomers.

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